%chk=000072934.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072934

0 1
 O    5.290500      -2.533200      3.5200000E-02
 O    5.231000       2.236000     -0.1519000    
 N    1.092000     -0.1868000      0.2905000    
 N   -2.981600      0.3035000       2.041500    
 N   -5.103700     -0.2217000       1.278000    
 N   -5.582400     -0.4156000      -1.074200    
 N   -3.926200     -8.0799997E-02  -2.668300    
 N   -7.261300     -0.7538000      0.5226000    
 C   -1.159700      0.6784000      0.5004000    
 C   -2.021400      0.4394000     -0.5555000    
 C   0.2793000       1.011100      0.3109000    
 C   -3.365400      0.1324000     -0.2969000    
 C   -3.822900      7.0500001E-02   1.024700    
 C   -1.687000      0.5984000       1.771900    
 C   -1.432800      0.5304000      -1.930400    
 C    2.470600     -0.1742000      0.1746000    
 C   -4.292300     -0.1203000      -1.305100    
 C    3.177400       1.039200      6.7000002E-02
 C    3.207600      -1.374600      0.1612000    
 C    4.597600      -1.361800      4.4799998E-02
 C    4.567400       1.052100     -4.9400002E-02
 C    5.277400     -0.1485000     -6.0600001E-02
 C   -5.915300     -0.4489000      0.2239000    
 C    6.709500      -2.447200     -8.6800002E-02
 C    6.651800       2.176000     -0.2680000    
 H   0.4474000       1.654100     -0.5601000    
 H   0.5900000       1.631400       1.164000    
 H   0.6353000      -1.090700      0.3505000    
 H   -1.076100      0.7699000       2.653100    
 H   -1.723800       1.464200      -2.421000    
 H  -0.3416000      0.5005000      -1.965800    
 H   -1.673000     -0.3510000      -2.532200    
 H    2.661400       1.996100      7.2700001E-02
 H    2.687800      -2.327400      0.2431000    
 H    6.353300     -0.1386000     -0.1506000    
 H   -3.484200      0.7694000      -2.993100    
 H   -4.652000     -0.4101000      -3.297400    
 H   -7.560400     -0.7895000       1.487300    
 H   -7.909900     -0.9312000     -0.2319000    
 H    7.007300      -2.006900      -1.044600    
 H    7.094900      -3.472200     -7.7299997E-02
 H    7.158700      -1.933200      0.7699000    
 H    6.961500       1.669600      -1.188600    
 H    7.112800       1.742000      0.6259000    
 H    7.011500       3.207900     -0.3392000    


%chk=000072934-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072934

0 1
O 5.177281 -2.627109 -0.078114
O 5.201744 2.341725 -0.195919
N 1.103764 -0.133645 0.456459
N -3.179456 0.509087 2.110331
N -5.239682 -0.147283 1.232623
N -5.582789 -0.435809 -1.173922
N -3.990825 -0.020902 -2.769246
N -7.286383 -0.859053 0.364015
C -1.191966 0.759382 0.671956
C -1.928870 0.436279 -0.494750
C 0.294784 1.078582 0.660820
C -3.338072 0.178866 -0.350260
C -3.925658 0.180207 0.989537
C -1.879801 0.794679 1.922908
C -1.198171 0.354525 -1.828815
C 2.492050 -0.115882 0.269881
C -4.296368 -0.098169 -1.426372
C 3.206295 1.105945 0.138778
C 3.196245 -1.350709 0.191296
C 4.587059 -1.349624 -0.019631
C 4.600482 1.073730 -0.078910
C 5.321854 -0.142330 -0.163949
C -5.985422 -0.470865 0.147796
C 6.622834 -2.701130 -0.282787
C 6.648153 2.393102 -0.402238
H 0.528762 1.803896 -0.144816
H 0.559517 1.582529 1.617232
H 0.673260 -1.017947 0.728378
H -1.318349 1.064645 2.828310
H -1.436811 1.219820 -2.481175
H -0.108979 0.350408 -1.677494
H -1.443215 -0.579064 -2.367591
H 2.720249 2.080466 0.218562
H 2.678174 -2.310137 0.287905
H 6.400213 -0.152070 -0.329664
H -3.095361 0.295440 -3.120064
H -4.755254 -0.216237 -3.414478
H -7.632985 -0.888044 1.319189
H -7.878131 -1.090072 -0.428666
H 6.919455 -2.254153 -1.252325
H 6.857914 -3.775932 -0.285848
H 7.175044 -2.203185 0.538600
H 6.940417 1.897782 -1.349369
H 7.194568 1.928279 0.442106
H 6.893432 3.464278 -0.455475


